5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine

C17H31N3O — CID 80989175

IUPAC5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OC(C)CC(C)C)c1C
InChIInChI=1S/C17H31N3O/c1-8-9-18-16-14(7)17(20-15(19-16)12(4)5)21-13(6)10-11(2)3/h11-13H,8-10H2,1-7H3,(H,18,19,20)
InChIKeyIRHLQSVQMYSIMH-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.54
Rot. Bonds8

About 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine

5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80989175) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80989175
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OC(C)CC(C)C)c1C
InChIInChI=1S/C17H31N3O/c1-8-9-18-16-14(7)17(20-15(19-16)12(4)5)21-13(6)10-11(2)3/h11-13H,8-10H2,1-7H3,(H,18,19,20)
InChIKeyIRHLQSVQMYSIMH-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
2-cyclopropyl-5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80988938
5-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860590
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
CID 80988210
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80989175) is 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(OC(C)CC(C)C)c1C.
What is the InChIKey of 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is IRHLQSVQMYSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-8-9-18-16-14(7)17(20-15(19-16)12(4)5)21-13(6)10-11(2)3/h11-13H,8-10H2,1-7H3,(H,18,19,20).
What are the key properties of 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine?
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80989175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).